N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide

C16H18N4OS — CID 158437458

IUPACN-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide
SMILESCc1csc(NC(=O)N2CCC(=Cc3ccccn3)CC2)n1
InChIInChI=1S/C16H18N4OS/c1-12-11-22-15(18-12)19-16(21)20-8-5-13(6-9-20)10-14-4-2-3-7-17-14/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,18,19,21)
InChIKeyHCKGLRZWPMNZJT-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.56
Rot. Bonds2

About N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide (PubChem CID 158437458) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide
PubChem CID158437458
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide
SMILESCc1csc(NC(=O)N2CCC(=Cc3ccccn3)CC2)n1
InChIInChI=1S/C16H18N4OS/c1-12-11-22-15(18-12)19-16(21)20-8-5-13(6-9-20)10-14-4-2-3-7-17-14/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,18,19,21)
InChIKeyHCKGLRZWPMNZJT-UHFFFAOYSA-N
XLogP3.56
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide (CID 158437458) is N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide is Cc1csc(NC(=O)N2CCC(=Cc3ccccn3)CC2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide?
The InChIKey is HCKGLRZWPMNZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-12-11-22-15(18-12)19-16(21)20-8-5-13(6-9-20)10-14-4-2-3-7-17-14/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,18,19,21).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide is sourced from PubChem (CID 158437458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).